2,6-bis(chloranyl)-3-heptylsulfonyl-benzoic acid

Systemtic Name: 2,6-bis(chloranyl)-3-heptylsulfonyl-benzoic acid Openeye Name: 2,6-dichloro-3-heptylsulfonyl-benzoic acid CAS Name: 2,6-dichloro-3-heptylsulfonylbenzoic acid IUPAC Name: 2,6-dichloro-3-heptylsulfonylbenzoic acid Traditional Name: 2,6-dichloro-3-heptylsulfonyl-benzoic acid Formula: C14H18Cl2O4S MolecularWeight: 353.26132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)C1=C(C(=C(C=C1)Cl)C(=O)O)Cl

Isomeric SMILES

CCCCCCCS(=O)(=O)C1=C(C(=C(C=C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C14H18Cl2O4S/c1-2-3-4-5-6-9-21(19,20)11-8-7-10(15)12(13(11)16)14(17)18/h7-8H,2-6,9H2,1H3,(H,17,18)